SCHEMBL19010708

SCHEMBL19010708

CNc1nc(NC(C)C2CCCCC2)c2cc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.43
IDH2 P48735 1/20 0.42
PAK4 O96013 3/20 0.40
GRK6 P43250 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
HPGDS O60760 1/20 0.39
P2RX7 Q99572 2/20 0.38
TTK P33981 1/20 0.38
PIK3CB P42338 1/20 0.38
MAPK8 P45983 1/20 0.38
PTK2 Q05397 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
RPS6KB1 P23443 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
HIF1A Q16665 2/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19010709 1.00 JAK3 (0.43) JAK3IDH2PAK4GRK6IRAK4
SCHEMBL19010711 1.00 JAK3 (0.43) JAK3IDH2PAK4GRK6IRAK4
SCHEMBL19010674 0.94 IDH2 (0.47) JAK3IDH2PAK4IRAK4TTK
SCHEMBL19010672 0.94 IDH2 (0.47) JAK3IDH2PAK4IRAK4TTK
SCHEMBL19010691 0.94 IDH2 (0.47) JAK3IDH2PAK4IRAK4TTK
SCHEMBL19010671 0.82 JAK2 (0.40) JAK3PAK4IRAK4TTKMAPK8
SCHEMBL19010730 0.79 LRRK2 (0.42) JAK3TTKPIK3CBMAPK8PTK2
SCHEMBL18984834 0.78 PTK2 (0.41) JAK3PAK4IRAK4TTKPIK3CB
SCHEMBL19010710 0.78 PTK2 (0.41) JAK3PAK4IRAK4TTKPIK3CB
SCHEMBL18984924 0.78 PTK2 (0.41) JAK3PAK4IRAK4TTKPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-07-17 US disclosed
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174694-A1 PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PRKDC, DAPK2 JAK3 397/4885IDH2 1485/4885PAK4 126/4885
US-10023579-B2 Pyrrolopyrimidine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof LRRK2, PRKDC, DAPK2 JAK3 397/4885IDH2 1485/4885PAK4 126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.